1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol

C29H34O6 — CID 123779801

IUPAC1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
SMILESCOC1OC(C(C)O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O6/c1-21(30)25-26(32-18-22-12-6-3-7-13-22)27(33-19-23-14-8-4-9-15-23)28(29(31-2)35-25)34-20-24-16-10-5-11-17-24/h3-17,21,25-30H,18-20H2,1-2H3
InChIKeyYSKIJCCVGJNOAO-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.49
Rot. Bonds11

About 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol

1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol (PubChem CID 123779801) has the molecular formula C29H34O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
PubChem CID123779801
Molecular FormulaC29H34O6
Molecular Weight478.59 g/mol
Exact Mass478.24
IUPAC Name1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
SMILESCOC1OC(C(C)O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O6/c1-21(30)25-26(32-18-22-12-6-3-7-13-22)27(33-19-23-14-8-4-9-15-23)28(29(31-2)35-25)34-20-24-16-10-5-11-17-24/h3-17,21,25-30H,18-20H2,1-2H3
InChIKeyYSKIJCCVGJNOAO-UHFFFAOYSA-N
XLogP4.49
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]prop-2-yn-1-ol
CID 132597133
N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 90113505
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(1R,2S,3R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propane-1,2,3-triol
CID 134931111
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2S,3R,4S,5S,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10876804
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587

Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol?
The IUPAC name of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol (CID 123779801) is 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol.
What is the SMILES notation for 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol?
The canonical SMILES for 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol is COC1OC(C(C)O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol?
The InChIKey is YSKIJCCVGJNOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O6/c1-21(30)25-26(32-18-22-12-6-3-7-13-22)27(33-19-23-14-8-4-9-15-23)28(29(31-2)35-25)34-20-24-16-10-5-11-17-24/h3-17,21,25-30H,18-20H2,1-2H3.
What are the key properties of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol?
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol has a molecular weight of 478.59 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol is sourced from PubChem (CID 123779801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).